Molecular-dynamics investigation of surface alloy formation for Ni/Al(001)

By using molecular-dynamics simulation, the interface and the surface structure of Ni-Al magnetic metallic multilayer system at atomic level were quantitatively investigated with regard to substrate temperature and adatom incident energy. In spite of low adatorn incident energy of 0.1 eV, NiAt intermixing occurred actively at the interface and NiAl(B2) and Ni3Al(L1(2)) were found in the interface region at room temperature. It was found that substrate temperature and adatom incident energy are the key parameters for determining the interface structure.